Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.59 |
| ▸ | TSHR | P16473 | 5/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13575244 | 0.81 | NPC1 (0.47) | CYP3A4TSHRMAPK1RAB9ANPC1 | |
| SCHEMBL12234221 | 0.81 | ALPI (0.58) | RAB9ANPC1MAPT | |
| SCHEMBL22369889 | 0.81 | ALPI (0.58) | RAB9ANPC1MAPT | |
| SCHEMBL13575264 | 0.81 | NPC1 (0.47) | CYP3A4TSHRMAPK1RAB9ANPC1 | |
| SCHEMBL13485806 | 0.80 | TSHR (0.69) | CYP3A4TSHRMAPK1RAB9ANPC1 | |
| SCHEMBL15314129 | 0.80 | CYP3A4 (0.65) | CYP3A4TSHRMAPK1RAB9ANPC1 | |
| SCHEMBL14407328 | 0.80 | CYP3A4 (0.65) | CYP3A4TSHRMAPK1RAB9ANPC1 | |
| SCHEMBL15314108 | 0.80 | CYP3A4 (0.65) | CYP3A4TSHRMAPK1RAB9ANPC1 | |
| SCHEMBL13821917 | 0.80 | CYP1A2 (0.55) | RAB9ANPC1MEN1KMT2AMAPT | |
| SCHEMBL29047084 | 0.80 | EPHX1 (0.56) | CYP3A4RAB9ANPC1ALDH1A1MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8557765-B2 | Spatially-defined macrocycles incorporating peptide bond surrogates | TRANZYME PHARMA INC. (CA) | 2013-10-15 | — | — | US | disclosed |